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Eslam Pourbasheer,Alireza Banaei,Reza Aalizadeh,Mohammad Reza Ganjali,Parviz Norouzi,Javad Shadmanesh,Constantinos Methenitis 한국공업화학회 2015 Journal of Industrial and Engineering Chemistry Vol.21 No.1
Quantitative structure property relationship study of Fullerene derivatives was studied to predict thepower conversion efficiency of compounds as polymer solar cell acceptors. The data set was split into thetraining and test set by employing hierarchal cluster technique. The most relevant descriptors wereselected using the genetic algorithm (GA) method. The predictive ability of the constructed model wasevaluated using Y-randomization test, cross-validation and test set compounds. The GA–MLR model wasbuilt based on six molecular descriptors, and it revealed appropriate statistical results. The resultssuggested that some quantum-chemical descriptors play significant effects on increasing the PCE values.
Eslam Pourbasheer,Somayeh Morsali,Alireza Banaei,Sajjad Aghabalazadeh,Mohammad Reza Ganjali,Parviz Norouzi 한국공업화학회 2015 Journal of Industrial and Engineering Chemistry Vol.26 No.-
The characterization of an optode is described for detection of copper(II) based on the immobilization of 6-bromo-3-(2-methyl-2,3-dihydrobenzo[d]thiazol-2-yl)-2H-chromen-2 one on a triacetylcellulose membrane. The effects of pH, indicator concentration and reaction time on the immobilization of ligand were studied. This optode can readily be regenerated using thiourea solutions and its response was reproducible and reversible (R.S.D. less than 2.7%). The Cu(II) could be determined in the range between 7.0 107 and 1.0 104 M with a detection limit of 2.5 107 M. The optical sensor was successfully applied for the determination of copper(II) in various real samples.